3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide

C6H10F3N3O2 — CID 130524196

IUPAC3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
SMILESNNC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)5(14)1-2-12(3-5)4(13)11-10/h14H,1-3,10H2,(H,11,13)
InChIKeyNBYOCIBKESETGR-UHFFFAOYSA-N
MW213.16 g/mol
LogP-0.43
Rot. Bonds

About 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide

3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide (PubChem CID 130524196) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Name3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
PubChem CID130524196
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC Name3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
SMILESNNC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)5(14)1-2-12(3-5)4(13)11-10/h14H,1-3,10H2,(H,11,13)
InChIKeyNBYOCIBKESETGR-UHFFFAOYSA-N
XLogP-0.43
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 120874268
(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119800753
4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 120874267
3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333364
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119800798
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 113241011
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762
N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980704
3,3-difluoropiperidine-1-carbohydrazide
CID 116991543

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide?
The IUPAC name of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide (CID 130524196) is 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide.
What is the SMILES notation for 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide?
The canonical SMILES for 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide is NNC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide?
The InChIKey is NBYOCIBKESETGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c7-6(8,9)5(14)1-2-12(3-5)4(13)11-10/h14H,1-3,10H2,(H,11,13).
What are the key properties of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide?
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide has a molecular weight of 213.16 g/mol, XLogP of -0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide is sourced from PubChem (CID 130524196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).